SCHEMBL927637

SCHEMBL927637

CC(C)(C)OC(=O)N1CC(C=O)CC1C=O

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.42
CHRM2 P08172 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
HSD17B10 Q99714 1/20 0.36
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
HPGD P15428 1/20 0.35
HSD11B1 P28845 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3232391 0.87 NR1H2 (0.39) NR1H2CHRM2CHRM1CHRM3HSD17B10
SCHEMBL2277430 0.84 NR1H2 (0.44) NR1H2CHRM2CHRM1CHRM3HSD17B10
SCHEMBL17331274 0.84 NR1H2 (0.39) NR1H2CHRM2CHRM1CHRM3HSD17B10
SCHEMBL1914221 0.84 NR1H2 (0.42) NR1H2CHRM2CHRM1CHRM3HSD17B10
SCHEMBL1914633 0.84 NR1H2 (0.42) NR1H2CHRM2CHRM1CHRM3HSD17B10
SCHEMBL12660832 0.84 NR1H2 (0.42) NR1H2CHRM2CHRM1CHRM3HSD17B10
SCHEMBL116548 0.84 NR1H2 (0.42) NR1H2CHRM2CHRM1CHRM3HSD17B10
SCHEMBL2146983 0.84 CHRM2 (0.49) NR1H2CHRM2CHRM1CHRM3HSD17B10
SCHEMBL6347848 0.84 CHRM2 (0.49) NR1H2CHRM2CHRM1CHRM3HSD17B10
SCHEMBL13618986 0.84 CHRM2 (0.49) NR1H2CHRM2CHRM1CHRM3HSD17B10

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4652161-A1 2,4-DIANILINOPYRIMIDINE-BASED AURORA-A KINASE SELECTIVE DEGRADATION INDUCING COMPOUNDS Uppthera, Inc. (KR) 2025-11-26 EP disclosed
WO-2024155112-A1 2,4-DIANILINOPYRIMIDINE-BASED AURORA-A KINASE SELECTIVE DEGRADATION INDUCING COMPOUNDS UPPTHERA, INC. (KR) 2024-07-25 WO disclosed
EP-3068774-B1 AZEPANE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS NOVIRA THERAPEUTICS INC (US) 2019-12-25 EP disclosed
US-10364228-B2 Azepane derivatives and methods of treating hepatitis B infections NOVIRA THERAPEUTICS, INC. (US) 2019-07-30 US disclosed
US-9994570-B2 Bridged diazepane orexin receptor antagonists MERCK SHARP & DOHME CORP. (US) 2018-06-12 US disclosed
US-9994570-B2 Bridged diazepane orexin receptor antagonists MERCK SHARP & DOHME CORP. (US) 2018-06-12 US disclosed
US-9994570-B2 Bridged diazepane orexin receptor antagonists MERCK SHARP & DOHME CORP. (US) 2018-06-12 US disclosed
US-20180044300-A1 AZEPANE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS NOVIRA THERAPEUTICS, INC. 2018-02-15 US disclosed
US-20170320876-A1 BRIDGED DIAZEPANE OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2017-11-09 US disclosed
US-20170320876-A1 BRIDGED DIAZEPANE OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2017-11-09 US disclosed
US-20080275048-A1 Substituted Diazabicycloalkane Derivates ABBOTT LABORATORIES (US) 2008-11-06 US disclosed
WO-2008112734-A1 HETEROCYCLIC-CARBONYL-DIAZABICYCLOALKANES AS MODULATORS OF THE NEURONAL NICOTINIC ACETYLCHOLINE ALPHA 4 BETA 2, SUBTYPE RECEPTOR FOR THE TREATMENT OF CNS RELATED DISORDERS TARGACEPT, INC. (US) 2008-09-18 WO disclosed
US-7399765-B2 Substituted diazabicycloalkane derivatives ABBOTT LABORATORIES (US) 2008-07-15 US disclosed
EP-1664045-A1 SUBSTITUTED DIAZABICYCLOALKANE DERIVATIVES AS LIGANDS AT ALPHA 7 NICOTINIC ACETYLCHOLINE RECEPTORS Abbott Laboratories (US) 2006-06-07 EP disclosed
US-20050101602-A1 For example, 3-(6-phenyl-pyridazin-3-yl)-3,8-diaza-bicyclo[3.2.1]octane; for treatment or prevention of conditions and disorders related to nAChR activity, and more particularly alpha 7 nAChR activity, such as attention deficit disorder, attention deficit hyperactivity disorder, Alzheimer's disease ABBVIE INC. 2005-05-12 US disclosed
WO-2005028477-A1 SUBSTITUTED DIAZABICYCLOALKANE DERIVATIVES AS LIGANDS AT ALPHA 7 NICOTINIC ACETY LCHOLINE RECEPTORS ABBOTT LABORATORIES (US) 2005-03-31 WO disclosed
US-20050065178-A1 Substituted diazabicycloakane derivatives ABBOTT LABORATORIES 2005-03-24 US disclosed
US-6858565-B2 Thermosensitive recording material and novel color developer compounds OJI PAPER CO., LTD. (JP) 2005-02-22 US disclosed
US-20030040434-A1 Thermosensitive recording material and novel color developer compounds OJI PAPER CO., LTD. (JP) 2003-02-27 US disclosed
EP-1264707-A2 Thermosensitive recording material and novel color developer compounds OJI PAPER CO., LTD. (JP) 2002-12-11 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050065178-A1 Substituted diazabicycloakane derivatives CHRNA7, CHRNA1, CHRNA5 NR1H2 156/4885CHRM2 31/4885CHRM1 26/4885
US-10364228-B2 Azepane derivatives and methods of treating hepatitis B infections HAVCR2, HDGF, AZI2 NR1H2 14/4885CHRM2 4416/4885CHRM1 4229/4885
US-20080275048-A1 Substituted Diazabicycloalkane Derivates CHRNA7, CHRNA1, CHRNA2 NR1H2 158/4885CHRM2 31/4885CHRM1 28/4885
US-20180044300-A1 AZEPANE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS HAVCR2, HDGF, AZI2 NR1H2 14/4885CHRM2 4416/4885CHRM1 4229/4885
US-20050101602-A1 For example, 3-(6-phenyl-pyridazin-3-yl)-3,8-diaza-bicyclo[3.2.1]octane; for treatment or prevention of conditions and disorders related to nAChR activity, and more particularly alpha 7 nAChR activity, such as attention deficit disorder, attention deficit hyperactivity disorder, Alzheimer's disease CHRNA7, CHRNA2, CHRNA6 NR1H2 134/4885CHRM2 32/4885CHRM1 26/4885
US-20170320876-A1 BRIDGED DIAZEPANE OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, CRHR1 NR1H2 134/4885CHRM2 416/4885CHRM1 366/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.